Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP12 | P39900 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | PDE1A | P54750 | 1/20 | 0.31 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.31 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.31 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.31 |
| ▸ | NAMPT | P43490 | 1/20 | 0.30 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL4038042 | 0.80 | PTAFR (0.36) | MMP12PDE1APDE1BPDE4DPDE1C | |
| SCHEMBL4031304 | 0.77 | L3MBTL1 (0.41) | MMP12NPSR1NAMPT | |
| SCHEMBL7089971 | 0.77 | GRM5 (0.42) | — | |
| SCHEMBL6115316 | 0.75 | TRIM24 (0.39) | NPSR1 | |
| SCHEMBL4031836 | 0.75 | NPSR1 (0.34) | NPSR1 | |
| SCHEMBL7019677 | 0.74 | CYP3A4 (0.40) | NPSR1PDE4D | |
| SCHEMBL4229224 | 0.74 | HTT (0.45) | NPSR1 | |
| SCHEMBL3800733 | 0.73 | TDP1 (0.41) | — | |
| Benzene SCHEMBL11824212 | 0.72 | TRIM24 (0.37) | NPSR1 | |
| SCHEMBL7857178 | 0.72 | LIPG (0.44) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1613613-A4 | CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS | ANORMED INC (CA) | 2009-03-25 | — | — | EP | disclosed |
| EP-1613613-A2 | CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS | ANORMED INC. (CA) | 2006-01-11 | — | — | EP | disclosed |
| WO-2004091518-A2 | CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS | ANORMED INC. (CA) | 2004-10-28 | — | — | WO | disclosed |